Molecule FYI-1006970

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A

Molecule Summary:

ID: FYI-1006970
Names:
InChIKey: GSEBMLLGHBSQFW-UHFFFAOYSA-N
SMILES: C=CCSSSSSSSCC=C

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006970 Edit

Molecule Structure InChIKey: GSEBMLLGHBSQFW-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCSSSSSSSCC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006970
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4253    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4253    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998    4.8495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7998    4.8495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4998    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8998    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5998    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006970-3D
FYIcenter.com

 23 22  0     0  0  0  0  0  0999 V2000
    2.1490    0.1296   -1.6211 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492    0.1294    1.6210 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016   -1.5410   -0.6188 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8016   -1.5412    0.6187 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4036   -1.8773    0.8433 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -1.8773   -0.8433 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -3.1131    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9491    1.4566   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9492    1.4563    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    1.7429    0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1814    1.7428   -0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972    1.6461    1.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973    1.6461   -1.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9996    1.2124   -0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408    2.3562   -1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9996    1.2121    0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9411    2.3559    1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    2.0762    0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1516    2.0760   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922    1.8802    2.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7223    1.3319    1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0922    1.8802   -2.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7224    1.3320   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2024-01-31, 993👍, 0💬